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Spatial distribution functions as a tool in the analysis of ribonucleic acids hydration--molecular dynamics studies.

作者信息

Kulińska K, Kuliński T, Lyubartsev A, Laaksonen A, Adamiak R W

机构信息

Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznań.

出版信息

Comput Chem. 2000 May;24(3-4):451-7. doi: 10.1016/s0097-8485(99)00085-6.

DOI:10.1016/s0097-8485(99)00085-6
PMID:10816014
Abstract

The spatial distribution functions (SDFs) determined as three-dimensional density distribution of hydrogen and oxygen atoms of water in a local coordinate system linked with RNA molecule are used to study details of the spatial structure of aqueous solution around selected parts of RNA duplexes: r(CGCGCG)2 and 2'-O-Me(CGCGCG)2. The influence of the 2'-O-methylation on the hydration pattern of RNA helical fragments is visualized at the atomic level.

摘要

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Spatial distribution functions as a tool in the analysis of ribonucleic acids hydration--molecular dynamics studies.
Comput Chem. 2000 May;24(3-4):451-7. doi: 10.1016/s0097-8485(99)00085-6.
2
Crystal structure of 2'-O-Me(CGCGCG)2, an RNA duplex at 1.30 A resolution. Hydration pattern of 2'-O-methylated RNA.2'-O-甲基化的（CGCGCG）2 RNA双链体的晶体结构，分辨率为1.30埃。2'-O-甲基化RNA的水化模式。
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Solution structure of RNA duplexes containing alternating CG base pairs: NMR study of r(CGCGCG)2 and 2'-O-Me(CGCGCG)2 under low salt conditions.含交替CG碱基对的RNA双链体的溶液结构：低盐条件下r(CGCGCG)2和2'-O-Me(CGCGCG)2的核磁共振研究
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The 1.19 A X-ray structure of 2'-O-Me(CGCGCG)(2) duplex shows dehydrated RNA with 2-methyl-2,4-pentanediol in the minor groove.2'-O-甲基（CGCGCG）（2）双链体的1.19埃X射线结构显示，在小沟中有含2-甲基-2,4-戊二醇的脱水RNA。
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The 1.19 A X-ray structure of 2'-O-Me(CGCGCG)(2) duplex shows dehydrated RNA with 2-methyl-2,4-pentanediol in the minor groove.
2'-O-甲基（CGCGCG）（2）双链体的1.19埃X射线结构显示，在小沟中有含2-甲基-2,4-戊二醇的脱水RNA。
Nucleic Acids Res. 2001 Oct 15;29(20):4144-53. doi: 10.1093/nar/29.20.4144.